N-ethyl-2-[(3-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine

C18H27N3 — CID 103014370

IUPACN-ethyl-2-[(3-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine
SMILESCCNCC(CCc1ccnn1C)Cc1cccc(C)c1
InChIInChI=1S/C18H27N3/c1-4-19-14-17(8-9-18-10-11-20-21(18)3)13-16-7-5-6-15(2)12-16/h5-7,10-12,17,19H,4,8-9,13-14H2,1-3H3
InChIKeyUGZVXFMGFFTJKY-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.13
Rot. Bonds8

About N-ethyl-2-[(3-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine

N-ethyl-2-[(3-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine (PubChem CID 103014370) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-ethyl-2-[(3-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine
PubChem CID103014370
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-ethyl-2-[(3-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine
SMILESCCNCC(CCc1ccnn1C)Cc1cccc(C)c1
InChIInChI=1S/C18H27N3/c1-4-19-14-17(8-9-18-10-11-20-21(18)3)13-16-7-5-6-15(2)12-16/h5-7,10-12,17,19H,4,8-9,13-14H2,1-3H3
InChIKeyUGZVXFMGFFTJKY-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014372
N-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694342
N-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62530963
1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030755
2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 63523508
N-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine
CID 63520839
N-ethyl-2-[(3-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052981
N-ethyl-4-ethylsulfonyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62516449
N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62516253
N-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009449
2-(3-chlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014703
2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103014342

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine?
The IUPAC name of N-ethyl-2-[(3-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine (CID 103014370) is N-ethyl-2-[(3-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-[(3-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2-[(3-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine is CCNCC(CCc1ccnn1C)Cc1cccc(C)c1.
What is the InChIKey of N-ethyl-2-[(3-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine?
The InChIKey is UGZVXFMGFFTJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-19-14-17(8-9-18-10-11-20-21(18)3)13-16-7-5-6-15(2)12-16/h5-7,10-12,17,19H,4,8-9,13-14H2,1-3H3.
What are the key properties of N-ethyl-2-[(3-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine?
N-ethyl-2-[(3-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 103014370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).